7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one

C12H14BrN3O2 — CID 135364537

IUPAC7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)CCOc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C12H14BrN3O2/c1-15(2)5-6-18-10-7-14-11-4-3-9(13)8-16(11)12(10)17/h3-4,7-8H,5-6H2,1-2H3
InChIKeyAYYSPBOIVICWKT-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.40
Rot. Bonds4

About 7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one

7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135364537) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one
PubChem CID135364537
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)CCOc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C12H14BrN3O2/c1-15(2)5-6-18-10-7-14-11-4-3-9(13)8-16(11)12(10)17/h3-4,7-8H,5-6H2,1-2H3
InChIKeyAYYSPBOIVICWKT-UHFFFAOYSA-N
XLogP1.40
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one (CID 135364537) is 7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one is CN(C)CCOc1cnc2ccc(Br)cn2c1=O.
What is the InChIKey of 7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AYYSPBOIVICWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-15(2)5-6-18-10-7-14-11-4-3-9(13)8-16(11)12(10)17/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 312.17 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[2-(dimethylamino)ethoxy]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135364537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).